TPCN01778
![[object Object]](../../static/browser_molecular_png/TPCN01778.png)
| Name | Spiroalanfurantones D |
| Molecular Formula | C21H28O6 |
| Molecular Weight | 376.45 |
| CAS Registry Number | 2416828-49-2 |
| SMILES | CC1CCCC2(C)CC3OC(=O)C4(CC5(CO)OC4(C)C(=O)C5O)C3C=C12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Inula helenium | Roots | 0.000125% | Org Lett 21(23): 9478-9482.(2019) | 10.1021/acs.orglett.9b03676 |
Properties
| HBA | 6 | HBD | 2 |
| HeavyAtoms | 27 | AlogP | 1.52 |
| TPSA | 93.06 | RotatableBonds | 1 |
| FractionCSP3 | 0.81 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |